CID 58096483

1259312-25-8

Structural Information

Molecular Formula
C24H29Cl2N3O3
SMILES
C1CC(=O)N(C2=C1C=CC(=C2)OCCCCN3CCN(CC3)C4=C(C(=CC=C4)Cl)Cl)CO
InChI
InChI=1S/C24H29Cl2N3O3/c25-20-4-3-5-21(24(20)26)28-13-11-27(12-14-28)10-1-2-15-32-19-8-6-18-7-9-23(31)29(17-30)22(18)16-19/h3-6,8,16,30H,1-2,7,9-15,17H2
InChIKey
RDYWTOWUSVAZGN-UHFFFAOYSA-N
Compound name
7-[4-[4-(2,3-dichlorophenyl)piperazin-1-yl]butoxy]-1-(hydroxymethyl)-3,4-dihydroquinolin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

279
Patents

477.1586 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.16588 213.8
[M+Na]+ 500.14782 219.1
[M-H]- 476.15132 216.3
[M+NH4]+ 495.19242 218.7
[M+K]+ 516.12176 210.9
[M+H-H2O]+ 460.15586 201.6
[M+HCOO]- 522.15680 213.8
[M+CH3COO]- 536.17245 218.7
[M+Na-2H]- 498.13327 211.1
[M]+ 477.15805 214.1
[M]- 477.15915 214.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe